4EU1
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2AX2
| Production and X-ray crystallographic analysis of fully deuterated human carbonic anhydrase II | Descriptor: | Carbonic anhydrase II, ZINC ION | Authors: | Budayova-Spano, M, Fisher, S.Z, Dauvergne, M.T, Silverman, D.N, Myles, D.A.A, McKenna, R.M. | Deposit date: | 2005-09-02 | Release date: | 2006-01-03 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Production and X-ray crystallographic analysis of fully deuterated human carbonic anhydrase II. Acta Crystallogr.,Sect.F, 62, 2006
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6IZG
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5XFW
| Crystal structures of FMN-free form of dihydroorotate dehydrogenase from Trypanosoma brucei | Descriptor: | Dihydroorotate dehydrogenase (fumarate), MALONATE ION | Authors: | Kubota, T, Tani, O, Yamaguchi, T, Namatame, I, Sakashita, H, Furukawa, K, Yamasaki, K. | Deposit date: | 2017-04-11 | Release date: | 2018-04-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal structures of FMN-bound and FMN-free forms of dihydroorotate dehydrogenase fromTrypanosoma brucei. FEBS Open Bio, 8, 2018
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4XEQ
| CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM DESULFOVIBRIO VULGARIS (Deval_0042, TARGET EFI-510114) BOUND TO COPURIFIED (R)-PANTOIC ACID | Descriptor: | PANTOATE, TRAP dicarboxylate transporter, DctP subunit | Authors: | Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2014-12-24 | Release date: | 2015-01-28 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM DESULFOVIBRIO VULGARIS (Deval_0042, TARGET EFI-510114) BOUND TO COPURIFIED (R)-PANTOIC ACID To be published
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5VTL
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3HBB
| Structures of dihydrofolate reductase-thymidylate synthase of Trypanosoma cruzi in the folate-free state and in complex with two antifolate drugs, trimetrexate and methotrexate | Descriptor: | 1,2-ETHANEDIOL, Dihydrofolate reductase-thymidylate synthase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Schormann, N, Senkovich, O, Chattopadhyay, D. | Deposit date: | 2009-05-04 | Release date: | 2009-05-19 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structures of dihydrofolate reductase-thymidylate synthase of Trypanosoma cruzi in the folate-free state and in complex with two antifolate drugs, trimetrexate and methotrexate. Acta Crystallogr.,Sect.D, 65, 2009
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4LYM
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6EO0
| Zebrafish Sirt5 in complex with stalled peptidylimidate and bicyclic intermediate of inhibitory compound 29 | Descriptor: | 1,2-ETHANEDIOL, 3-[[(2~{S},3~{a}~{R},5~{R},6~{R},6~{a}~{R})-5-[[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-2-[[(5~{S})-6-[[(2~{S})-3-(1~{H}-indol-3-yl)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl]amino]-6-oxidanylidene-5-(phenylmethoxycarbonylamino)hexyl]amino]-6-oxidanyl-3~{a},5,6,6~{a}-tetrahydrofuro[2,3-d][1,3]oxathiol-2-yl]amino]propanoic acid, 3-[[(~{Z})-~{C}-[(2~{R},3~{R},4~{S},5~{R})-5-[[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]sulfanyl-~{N}-[(5~{S})-6-[[(2~{S})-3-(1~{H}-indol-3-yl)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl]amino]-6-oxidanylidene-5-(phenylmethoxycarbonylamino)hexyl]carbonimidoyl]amino]propanoic acid, ... | Authors: | Pannek, M, Steegborn, C. | Deposit date: | 2017-10-08 | Release date: | 2017-11-01 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Mechanism-Based Inhibitors of the Human Sirtuin 5 Deacylase: Structure-Activity Relationship, Biostructural, and Kinetic Insight. Angew. Chem. Int. Ed. Engl., 56, 2017
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4MTP
| RdRp from Japanesese Encephalitis Virus | Descriptor: | RNA dependent RNA polymerase, ZINC ION | Authors: | Surana, P, Nair, D.T. | Deposit date: | 2013-09-20 | Release date: | 2013-12-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.65 Å) | Cite: | RNA-dependent RNA polymerase of Japanese encephalitis virus binds the initiator nucleotide GTP to form a mechanistically important pre-initiation state. Nucleic Acids Res., 42, 2014
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3ZG2
| Sterol 14 alpha-demethylase (CYP51) from Trypanosoma cruzi in complex with the pyridine inhibitor (S)-2-(4-chlorophenyl)-2-(pyridin-3-yl)-1- (4-(4-(trifluoromethyl)phenyl)piperazin-1-yl)ethanone (EPL-BS1246,UDO) | Descriptor: | (S)-2-(4-chlorophenyl)-2-pyridin-3-yl-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone, PROTOPORPHYRIN IX CONTAINING FE, STEROL 14-ALPHA DEMETHYLASE | Authors: | Hargrove, T.Y, Wawrzak, Z, Keenan, M, Chatelain, E, Lepesheva, G.I. | Deposit date: | 2012-12-14 | Release date: | 2013-09-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Complexes of Trypanosoma Cruzi Sterol 14Alpha-Demethylase (Cyp51) with Two Pyridine-Based Drug Candidates for Chagas Disease: Structural Basis for Pathogen-Selectivity J.Biol.Chem., 288, 2013
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3ZG3
| STEROL 14-ALPHA DEMETHYLASE (CYP51)FROM TRYPANOSOMA CRUZI IN COMPLEX WITH THE PYRIDINE INHIBITOR N-(1-(5-(trifluoromethyl)(pyridin-2-yl)) piperidin-4yl)-N-(4-(trifluoromethyl)phenyl)pyridin-3-amine (EPL- BS967, UDD) | Descriptor: | N-[4-(trifluoromethyl)phenyl]-N-[1-[5-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl]pyridin-3-amine, PROTOPORPHYRIN IX CONTAINING FE, STEROL 14-ALPHA DEMETHYLASE | Authors: | Hargrove, T.Y, Wawrzak, Z, Keenan, M, Chatelain, E, Lepesheva, G.I. | Deposit date: | 2012-12-14 | Release date: | 2013-09-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Complexes of Trypanosoma Cruzi Sterol 14Alpha-Demethylase (Cyp51) with Two Pyridine-Based Drug Candidates for Chagas Disease: Structural Basis for Pathogen-Selectivity J.Biol.Chem., 288, 2013
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8I8I
| Crystal structure of Phosphopantetheine adenylyltransferase from Klebsiella pneumoniae at 2.59 A resolution | Descriptor: | 1,2-ETHANEDIOL, Phosphopantetheine adenylyltransferase | Authors: | Ahmad, N, Singh, P.K, Sharma, P, Sharma, S, Singh, T.P. | Deposit date: | 2023-02-04 | Release date: | 2023-02-22 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Structure of a novel form of phosphopantetheine adenylyltransferase from Klebsiella pneumoniae at 2.59 angstrom resolution. Eur.Biophys.J., 53, 2024
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4B6W
| Architecture of Trypanosoma brucei Tubulin-Binding cofactor B | Descriptor: | 1,2-ETHANEDIOL, TUBULIN-SPECIFIC CHAPERONE | Authors: | Fleming, J.R, Morgan, R.E, Fyfe, P.K, Kelly, S.M, Hunter, W.N. | Deposit date: | 2012-08-15 | Release date: | 2012-08-22 | Last modified: | 2013-07-17 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | The Architecture of Trypanosoma Brucei Tubulin-Binding Cofactor B and Implications for Function. FEBS J., 280, 2013
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5L87
| Targeting the PEX14-PEX5 interaction by small molecules provides novel therapeutic routes to treat trypanosomiases. | Descriptor: | 1,2-ETHANEDIOL, 5-(1~{H}-indol-3-ylmethyl)-1-methyl-~{N}-(naphthalen-1-ylmethyl)-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridine-3-carboxamide, Peroxin 14 | Authors: | Dawidowski, M, Emmanouilidis, L, Sattler, M, Popowicz, G.M. | Deposit date: | 2016-06-07 | Release date: | 2017-03-08 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (0.87 Å) | Cite: | Inhibitors of PEX14 disrupt protein import into glycosomes and kill Trypanosoma parasites. Science, 355, 2017
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1ESM
| STRUCTURAL BASIS FOR THE FEEDBACK REGULATION OF ESCHERICHIA COLI PANTOTHENATE KINASE BY COENZYME A | Descriptor: | COENZYME A, PANTOTHENATE KINASE | Authors: | Yun, M, Park, C.G, Kim, J.Y, Rock, C.O, Jackowski, S, Park, H.W. | Deposit date: | 2000-04-10 | Release date: | 2000-09-20 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural basis for the feedback regulation of Escherichia coli pantothenate kinase by coenzyme A. J.Biol.Chem., 275, 2000
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1ESN
| STRUCTURAL BASIS FOR THE FEEDBACK REGULATION OF ESCHERICHIA COLI PANTOTHENATE KINASE BY COENZYME A | Descriptor: | MAGNESIUM ION, PANTOTHENATE KINASE, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | Authors: | Yun, M, Park, C.G, Kim, J.Y, Rock, C.O, Jackowski, S, Park, H.W. | Deposit date: | 2000-04-10 | Release date: | 2000-11-17 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural basis for the feedback regulation of Escherichia coli pantothenate kinase by coenzyme A. J.Biol.Chem., 275, 2000
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5L9A
| L-threonine dehydrogenase from trypanosoma brucei. | Descriptor: | ACETATE ION, L-threonine 3-dehydrogenase | Authors: | Erskine, P.T, Cooper, J.B, Adjogatse, E, Kelly, J, Wood, S.P. | Deposit date: | 2016-06-09 | Release date: | 2016-06-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structure and function of L-threonine-3-dehydrogenase from the parasitic protozoan Trypanosoma brucei revealed by X-ray crystallography and geometric simulations. Acta Crystallogr D Struct Biol, 74, 2018
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5L8A
| Targeting the PEX14-PEX5 interaction by small molecules provides novel therapeutic routes to treat trypanosomiases. | Descriptor: | 1,2-ETHANEDIOL, 1-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-~{N}-(phenylmethyl)-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridine-3-carboxamide, GLYCINE, ... | Authors: | Dawidowski, M, Emmanouilidis, L, Sattler, M, Popowicz, G.M. | Deposit date: | 2016-06-07 | Release date: | 2017-03-08 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Inhibitors of PEX14 disrupt protein import into glycosomes and kill Trypanosoma parasites. Science, 355, 2017
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6ER5
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6EQS
| Human Sirt5 in complex with stalled peptidylimidate intermediate of inhibitory compound 29 | Descriptor: | 1,2-ETHANEDIOL, 1,3-BUTANEDIOL, 3-[[(~{Z})-~{C}-[(2~{R},3~{R},4~{S},5~{R})-5-[[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]sulfanyl-~{N}-[(5~{S})-6-[[(2~{S})-3-(1~{H}-indol-3-yl)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl]amino]-6-oxidanylidene-5-(phenylmethoxycarbonylamino)hexyl]carbonimidoyl]amino]propanoic acid, ... | Authors: | Pannek, M, Steegborn, C. | Deposit date: | 2017-10-15 | Release date: | 2017-11-01 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | Mechanism-Based Inhibitors of the Human Sirtuin 5 Deacylase: Structure-Activity Relationship, Biostructural, and Kinetic Insight. Angew. Chem. Int. Ed. Engl., 56, 2017
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6ENX
| Zebrafish Sirt5 in complex with stalled bicyclic intermediate of inhibitory compound 10 | Descriptor: | 4-[(2~{R},3~{a}~{R},5~{R},6~{R},6~{a}~{R})-5-[[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-2-[[(5~{S})-6-[[(2~{S})-3-(1~{H}-indol-3-yl)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl]amino]-6-oxidanylidene-5-(phenylmethoxycarbonylamino)hexyl]amino]-6-oxidanyl-3~{a},5,6,6~{a}-tetrahydrofuro[2,3-d][1,3]oxathiol-2-yl]butanoic acid, DIMETHYL SULFOXIDE, NAD-dependent protein deacylase sirtuin-5, ... | Authors: | Pannek, M, Steegborn, C. | Deposit date: | 2017-10-06 | Release date: | 2017-11-01 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Mechanism-Based Inhibitors of the Human Sirtuin 5 Deacylase: Structure-Activity Relationship, Biostructural, and Kinetic Insight. Angew. Chem. Int. Ed. Engl., 56, 2017
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2ACO
| Xray structure of Blc dimer in complex with vaccenic acid | Descriptor: | Outer membrane lipoprotein blc, VACCENIC ACID | Authors: | Campanacci, V, Bishop, R.E, Reese, L, Blangy, S, Tegoni, M, Cambillau, C. | Deposit date: | 2005-07-19 | Release date: | 2006-08-01 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The membrane bound bacterial lipocalin Blc is a functional dimer with binding preference for lysophospholipids. Febs Lett., 580, 2006
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5N29
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6FTF
| Regulatory subunit of a cAMP-independent protein kinase A from Trypanosoma cruzi at 1.09 A resolution | Descriptor: | 1,2-ETHANEDIOL, 7-cyano-7-deazainosine, Protein kinase A regulatory subunit, ... | Authors: | Volpato Santos, Y, Lorentzen, E, Basquin, J, Boshart, M. | Deposit date: | 2018-02-21 | Release date: | 2019-04-03 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.09151936 Å) | Cite: | Nucleoside analogue activators of cyclic AMP-independent protein kinase A of Trypanosoma. Nat Commun, 10, 2019
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